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CAS 138113-09-4 manufacturers and suppliers on PharmaCompass

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CAS 138113-09-4
Also known as: 138113-09-4, 2-(7-methoxy-1-naphthyl)ethanamine, 1-naphthaleneethanamine, 7-methoxy-, 2-(7-methoxy-1-naphthyl)ethylamine, 2-(7-methoxynaphthalen-1-yl)ethan-1-amine, Schembl124465
Molecular Formula
C13H15NO
Molecular Weight
201.26  g/mol
InChI Key
YXDUMIVUPSVYLB-UHFFFAOYSA-N

1 2D Structure

CAS 138113-09-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(7-methoxynaphthalen-1-yl)ethanamine
2.1.2 InChI
InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3
2.1.3 InChI Key
YXDUMIVUPSVYLB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=CC=C2CCN)C=C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 138113-09-4

2. 2-(7-methoxy-1-naphthyl)ethanamine

3. 1-naphthaleneethanamine, 7-methoxy-

4. 2-(7-methoxy-1-naphthyl)ethylamine

5. 2-(7-methoxynaphthalen-1-yl)ethan-1-amine

6. Schembl124465

7. Amy9191

8. Dtxsid00453436

9. 7-methoxynaphthalene-1-ethanamine

10. (7-methoxy-1-naphthyl)ethyl Amine

11. Bcp15348

12. 2-(7-methoxynaphth-1-yl)ethylamine

13. Mfcd09744147

14. Zinc34619184

15. Akos015998974

16. 2-(7-methoxynaphthalen-1-yl)ethylamine

17. Ts-01498

18. 2-(7-methoxy-naphthalen-1-yl)-ethylamine

19. Db-063232

20. Cs-0445795

21. Ft-0743448

22. E84643

23. A886311

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 201.26 g/mol
Molecular Formula C13H15NO
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass201.115364102 g/mol
Monoisotopic Mass201.115364102 g/mol
Topological Polar Surface Area35.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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